CJA: 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
CJA is a Ligand Of Interest in 9BU4 designated by the Author
| Best-fitted instance in this entry |
| Other instances in this entry |
| Best-fitted instance in this entry |
| Best-fitted PDB instances with same target (top 5) |
| Identifier | Ranking for goodness of fit | Ranking for geometry | Real space R factor | Real space correlation coefficient | RMSZ-bond-length | RMSZ-bond-angle | Outliers of bond length | Outliers of bond angle | Atomic clashes | Stereochemical errors | Model completeness | Average occupancy |
|---|
| 9BU4_CJA_A_501 | 72% | 0% | 0.136 | 0.959 | 7.59 | 2.53 | 18 | 7 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_J_501 | 69% | 0% | 0.137 | 0.952 | 7.54 | 2.57 | 20 | 7 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_C_501 | 64% | 0% | 0.142 | 0.941 | 7.71 | 2.22 | 19 | 8 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_F_501 | 60% | 0% | 0.163 | 0.949 | 7.99 | 2.33 | 20 | 7 | 1 | 0 | 100% | 1 |
| 9BU4_CJA_H_501 | 59% | 0% | 0.162 | 0.943 | 7.5 | 2.25 | 20 | 7 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_E_501 | 58% | 0% | 0.159 | 0.937 | 7.43 | 2.7 | 20 | 7 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_D_501 | 51% | 0% | 0.175 | 0.928 | 7.75 | 2.06 | 20 | 7 | 3 | 0 | 100% | 1 |
| 9BU4_CJA_I_501 | 46% | 0% | 0.181 | 0.917 | 7.29 | 2.15 | 20 | 7 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_K_501 | 45% | 0% | 0.186 | 0.917 | 7.54 | 2.58 | 20 | 7 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_G_501 | 44% | 0% | 0.181 | 0.91 | 7.53 | 2.41 | 19 | 7 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_L_501 | 43% | 0% | 0.186 | 0.911 | 7.52 | 2.39 | 20 | 7 | 0 | 0 | 100% | 1 |
| 9BU4_CJA_B_501 | 40% | 0% | 0.192 | 0.904 | 7.53 | 2.45 | 20 | 7 | 0 | 0 | 100% | 1 |
| 6MC1_CJA_C_500 | 54% | 15% | 0.176 | 0.943 | 1.19 | 2.56 | 2 | 7 | 0 | 0 | 100% | 1 |
